3-Thiophenecarboxamide - CAS 51460-47-0

Catalog:	BB027448
Product Name:	3-Thiophenecarboxamide
CAS:	51460-47-0
Synonyms:	thiophene-3-carboxamide

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Computed Properties

IUPAC Name:	thiophene-3-carboxamide
Description:	3-Thiophenecarboxamide (CAS# 51460-47-0) is a useful research chemical.
Molecular Weight:	127.16
Molecular Formula:	C5H5NOS
Canonical SMILES:	C1=CSC=C1C(=O)N
InChI:	InChI=1S/C5H5NOS/c6-5(7)4-1-2-8-3-4/h1-3H,(H2,6,7)
InChI Key:	DAUYIKBTMNZABP-UHFFFAOYSA-N
Boiling Point:	313.5 °C at 760 mmHg
Density:	1.302 g/cm³
Appearance:	Powder
MDL:	MFCD05664206
LogP:	1.54730

Publication Number	Title	Priority Date
WO-2015156417-A1	Cyclopropanamine compound and use thereof	20140411
WO-2015075023-A1	Tricyclic piperidine compounds	20131119
WO-2014180562-A1	Novel compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis	20130507
WO-2014060112-A1	Pyrazolo[4,3-d]pyrimidines as kinase inhibitors	20121019
WO-2014060113-A1	Novel kinase inhibitors	20121019

PMID	Publication Date	Title	Journal
21458276	20110415	Design, synthesis, and structure-activity relationship studies of thiophene-3-carboxamide derivatives as dual inhibitors of the c-Jun N-terminal kinase	Bioorganic & medicinal chemistry
15345841	20040901	Two biologically active thiophene-3-carboxamide derivatives	Acta crystallographica. Section C, Crystal structure communications
14671367	20031201	Two biologically active thiophene-3-carboxamide derivatives	Acta crystallographica. Section C, Crystal structure communications

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GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.00918496
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.00918496
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5